1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine

C116H137F6N29O12 — CID 159293146

IUPAC1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)(C)NC(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.FC(F)(F)c1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.FC(F)(F)c1ncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.N#Cc1cncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.OCc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1
InChIInChI=1S/C24H26F3N5O2.C23H25F3N6O2.C23H25N7O2.C23H28N6O3.C23H33N5O3/c25-24(26,27)16-11-18(15-28-14-16)31-17-1-3-20(4-2-17)34-22-13-19(32-7-9-33-10-8-32)12-21-23(22)30-6-5-29-21;24-23(25,26)22-29-13-16(14-30-22)31-15-1-3-18(4-2-15)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19;24-13-16-14-25-15-28-23(16)29-17-1-3-19(4-2-17)32-21-12-18(30-7-9-31-10-8-30)11-20-22(21)27-6-5-26-20;30-14-17-11-22(27-15-26-17)28-16-1-3-19(4-2-16)32-21-13-18(29-7-9-31-10-8-29)12-20-23(21)25-6-5-24-20;1-23(2,3)27-22(29)26-16-4-6-18(7-5-16)31-20-15-17(28-10-12-30-13-11-28)14-19-21(20)25-9-8-24-19/h5-6,11-15,17,20,31H,1-4,7-10H2;5-6,11-15,18,31H,1-4,7-10H2;5-6,11-12,14-15,17,19H,1-4,7-10H2,(H,25,28,29);5-6,11-13,15-16,19,30H,1-4,7-10,14H2,(H,26,27,28);8-9,14-16,18H,4-7,10-13H2,1-3H3,(H2,26,27,29)
InChIKeyLAJMPEYBMNCNOJ-UHFFFAOYSA-N
MW2243.55 g/mol
LogP17.49
Rot. Bonds25

About 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine

1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 159293146) has the molecular formula C116H137F6N29O12 and a molecular weight of 2243.55 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID159293146
Molecular FormulaC116H137F6N29O12
Molecular Weight2243.55 g/mol
Exact Mass2242.09
IUPAC Name1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)(C)NC(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.FC(F)(F)c1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.FC(F)(F)c1ncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.N#Cc1cncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.OCc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1
InChIInChI=1S/C24H26F3N5O2.C23H25F3N6O2.C23H25N7O2.C23H28N6O3.C23H33N5O3/c25-24(26,27)16-11-18(15-28-14-16)31-17-1-3-20(4-2-17)34-22-13-19(32-7-9-33-10-8-32)12-21-23(22)30-6-5-29-21;24-23(25,26)22-29-13-16(14-30-22)31-15-1-3-18(4-2-15)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19;24-13-16-14-25-15-28-23(16)29-17-1-3-19(4-2-17)32-21-12-18(30-7-9-31-10-8-30)11-20-22(21)27-6-5-26-20;30-14-17-11-22(27-15-26-17)28-16-1-3-19(4-2-16)32-21-13-18(29-7-9-31-10-8-29)12-20-23(21)25-6-5-24-20;1-23(2,3)27-22(29)26-16-4-6-18(7-5-16)31-20-15-17(28-10-12-30-13-11-28)14-19-21(20)25-9-8-24-19/h5-6,11-15,17,20,31H,1-4,7-10H2;5-6,11-15,18,31H,1-4,7-10H2;5-6,11-12,14-15,17,19H,1-4,7-10H2,(H,25,28,29);5-6,11-13,15-16,19,30H,1-4,7-10,14H2,(H,26,27,28);8-9,14-16,18H,4-7,10-13H2,1-3H3,(H2,26,27,29)
InChIKeyLAJMPEYBMNCNOJ-UHFFFAOYSA-N
XLogP17.49
TPSA460.90 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds25
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.55
LogP ≤ 517.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine with MolForge

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Related Compounds

2-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 86280756
6-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 86280757
1-(4-Cyanophenyl)-3-[3-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea;1-[3-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89713821
1-(4-Cyanophenyl)-3-[3-fluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]urea;1-[3-fluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-(4-methoxyphenyl)urea;1-[3-fluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89719262
1-(4-Cyanophenyl)-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89723212
(1R)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 90454061
5-fluoro-4-N,4-N-dimethyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 90454064
(1S)-2,2,2-trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 90454067
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 90454118
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 117620818
6-ethyl-5-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 117620826
2,2,2-Trifluoro-1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]ethanol
CID 121335565

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine (CID 159293146) is 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine is CC(C)(C)NC(=O)NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.FC(F)(F)c1cncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.FC(F)(F)c1ncc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cn1.N#Cc1cncnc1NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1.OCc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.
What is the InChIKey of 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is LAJMPEYBMNCNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2.C23H25F3N6O2.C23H25N7O2.C23H28N6O3.C23H33N5O3/c25-24(26,27)16-11-18(15-28-14-16)31-17-1-3-20(4-2-17)34-22-13-19(32-7-9-33-10-8-32)12-21-23(22)30-6-5-29-21;24-23(25,26)22-29-13-16(14-30-22)31-15-1-3-18(4-2-15)34-20-12-17(32-7-9-33-10-8-32)11-19-21(20)28-6-5-27-19;24-13-16-14-25-15-28-23(16)29-17-1-3-19(4-2-17)32-21-12-18(30-7-9-31-10-8-30)11-20-22(21)27-6-5-26-20;30-14-17-11-22(27-15-26-17)28-16-1-3-19(4-2-16)32-21-13-18(29-7-9-31-10-8-29)12-20-23(21)25-6-5-24-20;1-23(2,3)27-22(29)26-16-4-6-18(7-5-16)31-20-15-17(28-10-12-30-13-11-28)14-19-21(20)25-9-8-24-19/h5-6,11-15,17,20,31H,1-4,7-10H2;5-6,11-15,18,31H,1-4,7-10H2;5-6,11-12,14-15,17,19H,1-4,7-10H2,(H,25,28,29);5-6,11-13,15-16,19,30H,1-4,7-10,14H2,(H,26,27,28);8-9,14-16,18H,4-7,10-13H2,1-3H3,(H2,26,27,29).
What are the key properties of 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine?
1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 2243.55 g/mol, XLogP of 17.49, 25 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]urea;4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]methanol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)pyridin-3-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 159293146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).